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MMsINC code: MMs01730233

Type: Neutral
Formula: C₁₇H₁₁ClN₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(O)=O)C(=O)N(C1=O)c1ccccc1

InChI:

InChI=1/C17H11ClN2O4/c18-13-14(19-11-6-4-5-10(9-11)17(23)24)16(22)20(15(13)21)12-7-2-1-3-8-12/h1-9,19H,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4554 kcal/mol

Physical Properties
Molecular Weight: 342.738 g/mol	logS: -4.97953	SlogP: 2.9294	Reactive groups: 1

Topological Properties
Globularity: 0.0454541	Sterimol/B1: 2.85252	Sterimol/B2: 2.97351	Sterimol/B3: 3.8319
Sterimol/B4: 7.74146	Sterimol/L: 16.9012

Surface and Volume Properties
Accessible surface: 549.185	Positive charged surface: 251.41	Negative charged surface: 297.775	Volume: 289.875
Hydrophobic surface: 378.419	Hydrophilic surface: 170.766

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01730234
IBS-ZINC00118731